(10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

C24H17ClN4O2S2 — CID 124636806

IUPAC(10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
SMILESO=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3cccnc3C[C@]12c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClN4O2S2/c25-16-7-5-15(6-8-16)24-13-18-17(3-1-9-26-18)22(30)28(24)10-11-29(24)23(31)19-14-33-21(27-19)20-4-2-12-32-20/h1-9,12,14H,10-11,13H2/t24-/m1/s1
InChIKeyICRWUBPLPKWCFL-XMMPIXPASA-N
MW493.01 g/mol
LogP4.93
Rot. Bonds3

About (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

(10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (PubChem CID 124636806) has the molecular formula C24H17ClN4O2S2 and a molecular weight of 493.01 g/mol. Its IUPAC name is (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name(10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
PubChem CID124636806
Molecular FormulaC24H17ClN4O2S2
Molecular Weight493.01 g/mol
Exact Mass492.05
IUPAC Name(10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
SMILESO=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3cccnc3C[C@]12c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClN4O2S2/c25-16-7-5-15(6-8-16)24-13-18-17(3-1-9-26-18)22(30)28(24)10-11-29(24)23(31)19-14-33-21(27-19)20-4-2-12-32-20/h1-9,12,14H,10-11,13H2/t24-/m1/s1
InChIKeyICRWUBPLPKWCFL-XMMPIXPASA-N
XLogP4.93
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
The IUPAC name of (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (CID 124636806) is (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.
What is the SMILES notation for (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
The canonical SMILES for (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is O=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3cccnc3C[C@]12c1ccc(Cl)cc1.
What is the InChIKey of (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
The InChIKey is ICRWUBPLPKWCFL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H17ClN4O2S2/c25-16-7-5-15(6-8-16)24-13-18-17(3-1-9-26-18)22(30)28(24)10-11-29(24)23(31)19-14-33-21(27-19)20-4-2-12-32-20/h1-9,12,14H,10-11,13H2/t24-/m1/s1.
What are the key properties of (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
(10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one has a molecular weight of 493.01 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is sourced from PubChem (CID 124636806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).